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Compound Detail

CHEMBL235231

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Cc1[nH]nc(-c2nnn[nH]2)c1F

Basic Information

ChEMBL ID CHEMBL235231
Phase Preclinical
Structure Type MOL
InChI Key ZYFGAKOCORYXGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

168.1
MW (Da)
0.04
ALogP
4
HBA
2
HBD
83.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H5FN6
MW 168.13
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -2.55

Activity Summary

EC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
EC50 5.82 5.82 1513.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17804224 10.1016/j.bmcl.2007.07.101 Hydroxycarboxylic acid receptor 2 3
17804224 10.1016/j.bmcl.2007.07.101 Hydroxycarboxylic acid receptor 3 2

Data from ChEMBL 36 via Core Engine